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 125.5
[M+Na]+ 147.08927 136.2
[M+NH4]+ 142.13387 133.8
[M+K]+ 163.06321 132.4
[M-H]- 123.09277 126.8
[M+Na-2H]- 145.07472 130.5
[M]+ 124.09950 127.1
[M]- 124.10060 127.1
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.

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No patent data available for this compound.