CID 737232

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

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1=CC=C(N1C)CN
InChI
InChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
InChIKey
KMUHAJOXPNPERW-UHFFFAOYSA-N
Compound name
(1,5-dimethylpyrrol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

124.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 124.9
[M+Na]+ 147.089268 134.1
[M-H]- 123.092774 127.4
[M+NH4]+ 142.133873 147.8
[M+K]+ 163.063208 132.5
[M+H-H2O]+ 107.097310 119.1
[M+HCOO]- 169.098251 149.9
[M+CH3COO]- 183.113901 174.4
[M+Na-2H]- 145.074716 129.8
[M]+ 124.09950142 124.3
[M]- 124.10059858 124.3
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