CID 75949

2-methyltryptamine

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=C(C2=CC=CC=C2N1)CCN
InChI
InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey
CPVSLHQIPGTMLH-UHFFFAOYSA-N
Compound name
2-(2-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

328
Patents

174.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.7
[M+Na]+ 197.10491 146.4
[M-H]- 173.10841 138.9
[M+NH4]+ 192.14951 158.0
[M+K]+ 213.07885 141.7
[M+H-H2O]+ 157.11295 130.7
[M+HCOO]- 219.11389 160.5
[M+CH3COO]- 233.12954 150.3
[M+Na-2H]- 195.09036 143.1
[M]+ 174.11514 136.2
[M]- 174.11624 136.2
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