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]+ 125.10733 125.7
[M+Na]+ 147.08927 134.5
[M-H]- 123.09277 126.8
[M+NH4]+ 142.13387 147.8
[M+K]+ 163.06321 131.9
[M+H-H2O]+ 107.09731 120.1
[M+HCOO]- 169.09825 149.2
[M+CH3COO]- 183.11390 171.8
[M+Na-2H]- 145.07472 130.0
[M]+ 124.09950 123.2
[M]- 124.10060 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.