CID 82418888

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

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1=CC(=C(N1)C)CN
InChI
InChI=1S/C7H12N2/c1-5-3-7(4-8)6(2)9-5/h3,9H,4,8H2,1-2H3
InChIKey
KJENYXWFEZWBBS-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-1H-pyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 125.7
[M+Na]+ 147.089268 134.5
[M-H]- 123.092774 126.8
[M+NH4]+ 142.133873 147.8
[M+K]+ 163.063208 131.9
[M+H-H2O]+ 107.097310 120.1
[M+HCOO]- 169.098251 149.2
[M+CH3COO]- 183.113901 171.8
[M+Na-2H]- 145.074716 130.0
[M]+ 124.09950142 123.2
[M]- 124.10059858 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.