CID 24708949

4-(pyrrolidin-1-ylmethyl)benzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C12H17N3
SMILES
C1CCN(C1)CC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C12H17N3/c13-12(14)11-5-3-10(4-6-11)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H3,13,14)
InChIKey
ZFZOFEXMXKQKCW-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-1-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 146.5
[M+Na]+ 226.131458 151.0
[M-H]- 202.134964 150.8
[M+NH4]+ 221.176063 164.7
[M+K]+ 242.105398 147.5
[M+H-H2O]+ 186.139500 138.5
[M+HCOO]- 248.140441 168.8
[M+CH3COO]- 262.156091 189.5
[M+Na-2H]- 224.116906 149.1
[M]+ 203.14169142 139.9
[M]- 203.14278858 139.9
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.