CID 3068086

Vufb-12265

Structural Information

Molecular Formula
C15H21N
SMILES
CC(CC1=C2CCCC2=CC3=C1CCC3)N
InChI
InChI=1S/C15H21N/c1-10(16)8-15-13-6-2-4-11(13)9-12-5-3-7-14(12)15/h9-10H,2-8,16H2,1H3
InChIKey
BKWCLSYXCMDBDK-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.174676 152.8
[M+Na]+ 238.156618 158.9
[M-H]- 214.160124 157.4
[M+NH4]+ 233.201223 176.7
[M+K]+ 254.130558 154.7
[M+H-H2O]+ 198.164660 147.5
[M+HCOO]- 260.165601 173.1
[M+CH3COO]- 274.181251 165.0
[M+Na-2H]- 236.142066 153.5
[M]+ 215.16685142 149.5
[M]- 215.16794858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe