CID 430878

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

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=CC2=C(N1C)C=CC(=C2)CN
InChI
InChI=1S/C11H14N2/c1-8-5-10-6-9(7-12)3-4-11(10)13(8)2/h3-6H,7,12H2,1-2H3
InChIKey
RBJKUVYKEPJFDP-UHFFFAOYSA-N
Compound name
(1,2-dimethylindol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 136.4
[M+Na]+ 197.104908 147.5
[M-H]- 173.108414 140.4
[M+NH4]+ 192.149513 158.8
[M+K]+ 213.078848 143.7
[M+H-H2O]+ 157.112950 130.4
[M+HCOO]- 219.113891 161.7
[M+CH3COO]- 233.129541 184.7
[M+Na-2H]- 195.090356 142.5
[M]+ 174.11514142 138.1
[M]- 174.11623858 138.1
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