CID 15957476

1h-carbazole-1-acetic acid, 6-chloro-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C17H22ClNO2
SMILES
CCCC1(CCCC2C1NC3=C2C=C(C=C3)Cl)CC(=O)O
InChI
InChI=1S/C17H22ClNO2/c1-2-7-17(10-15(20)21)8-3-4-12-13-9-11(18)5-6-14(13)19-16(12)17/h5-6,9,12,16,19H,2-4,7-8,10H2,1H3,(H,20,21)
InChIKey
ZIDNBLUGTMIFGN-UHFFFAOYSA-N
Compound name
2-(6-chloro-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.1339 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14118 173.3
[M+Na]+ 330.12312 180.5
[M-H]- 306.12662 173.8
[M+NH4]+ 325.16772 192.3
[M+K]+ 346.09706 173.3
[M+H-H2O]+ 290.13116 167.9
[M+HCOO]- 352.13210 181.8
[M+CH3COO]- 366.14775 199.9
[M+Na-2H]- 328.10857 174.1
[M]+ 307.13335 171.8
[M]- 307.13445 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.