CID 42282040

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

Structural Information

Molecular Formula
C8H14N2
SMILES
CC1=CC(=C(N1C)C)CN
InChI
InChI=1S/C8H14N2/c1-6-4-8(5-9)7(2)10(6)3/h4H,5,9H2,1-3H3
InChIKey
QDKVKIHUOVMMCG-UHFFFAOYSA-N
Compound name
(1,2,5-trimethylpyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.11569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 129.1
[M+Na]+ 161.10491 138.9
[M-H]- 137.10841 131.9
[M+NH4]+ 156.14951 151.8
[M+K]+ 177.07885 137.0
[M+H-H2O]+ 121.11295 123.5
[M+HCOO]- 183.11389 153.9
[M+CH3COO]- 197.12954 178.6
[M+Na-2H]- 159.09036 132.8
[M]+ 138.11514 129.3
[M]- 138.11624 129.3
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.