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]+ 204.14952 146.5
[M+Na]+ 226.13146 151.0
[M-H]- 202.13496 150.8
[M+NH4]+ 221.17606 164.7
[M+K]+ 242.10540 147.5
[M+H-H2O]+ 186.13950 138.5
[M+HCOO]- 248.14044 168.8
[M+CH3COO]- 262.15609 189.5
[M+Na-2H]- 224.11691 149.1
[M]+ 203.14169 139.9
[M]- 203.14279 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.