CID 12258875

(2-methyl-1h-indol-5-yl)methanamine

Structural Information

Molecular Formula
C10H12N2
SMILES
CC1=CC2=C(N1)C=CC(=C2)CN
InChI
InChI=1S/C10H12N2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,12H,6,11H2,1H3
InChIKey
OZQPOLJBMYZUOL-UHFFFAOYSA-N
Compound name
(2-methyl-1H-indol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

160.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.1
[M+Na]+ 183.08927 142.2
[M-H]- 159.09277 134.4
[M+NH4]+ 178.13387 153.9
[M+K]+ 199.06321 137.8
[M+H-H2O]+ 143.09731 126.3
[M+HCOO]- 205.09825 156.1
[M+CH3COO]- 219.11390 146.1
[M+Na-2H]- 181.07472 139.0
[M]+ 160.09950 131.1
[M]- 160.10060 131.1
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