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]+ 139.122966 129.1
[M+Na]+ 161.104908 138.9
[M-H]- 137.108414 131.9
[M+NH4]+ 156.149513 151.8
[M+K]+ 177.078848 137.0
[M+H-H2O]+ 121.112950 123.5
[M+HCOO]- 183.113891 153.9
[M+CH3COO]- 197.129541 178.6
[M+Na-2H]- 159.090356 132.8
[M]+ 138.11514142 129.3
[M]- 138.11623858 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.