CID 208757

Brn 1532674

Structural Information

Molecular Formula
C13H17NO
SMILES
CN1CCC2C1CCC3=C2C=C(C=C3)O
InChI
InChI=1S/C13H17NO/c1-14-7-6-11-12-8-10(15)4-2-9(12)3-5-13(11)14/h2,4,8,11,13,15H,3,5-7H2,1H3
InChIKey
CBRKAWXUZOALSM-UHFFFAOYSA-N
Compound name
3-methyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 145.6
[M+Na]+ 226.120228 153.3
[M-H]- 202.123734 148.1
[M+NH4]+ 221.164833 167.0
[M+K]+ 242.094168 149.0
[M+H-H2O]+ 186.128270 139.5
[M+HCOO]- 248.129211 162.4
[M+CH3COO]- 262.144861 157.7
[M+Na-2H]- 224.105676 149.5
[M]+ 203.13046142 142.1
[M]- 203.13155858 142.1
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

No patent data available for this compound.