CID 730046

(2,3-dimethyl-1h-indol-5-yl)methanamine

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=C(NC2=C1C=C(C=C2)CN)C
InChI
InChI=1S/C11H14N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,6,12H2,1-2H3
InChIKey
FHUICSFKWZVPSM-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-1H-indol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

174.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 136.9
[M+Na]+ 197.104908 147.6
[M-H]- 173.108414 139.5
[M+NH4]+ 192.149513 158.5
[M+K]+ 213.078848 142.9
[M+H-H2O]+ 157.112950 131.2
[M+HCOO]- 219.113891 160.6
[M+CH3COO]- 233.129541 182.1
[M+Na-2H]- 195.090356 142.6
[M]+ 174.11514142 136.7
[M]- 174.11623858 136.7
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

patents stripe