CID 20888475

1-(1-benzyl-1h-pyrrol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H14N2
SMILES
C1=CC=C(C=C1)CN2C=CC=C2CN
InChI
InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10,13H2
InChIKey
JAPGDYZHTAFVMD-UHFFFAOYSA-N
Compound name
(1-benzylpyrrol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.3
[M+Na]+ 209.10491 147.9
[M-H]- 185.10841 145.4
[M+NH4]+ 204.14951 160.0
[M+K]+ 225.07885 144.1
[M+H-H2O]+ 169.11295 132.7
[M+HCOO]- 231.11389 165.4
[M+CH3COO]- 245.12954 183.9
[M+Na-2H]- 207.09036 145.7
[M]+ 186.11514 138.7
[M]- 186.11624 138.7
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

patents stripe