CID 202356

N-(diaminomethylidene)pyrrolidine-1-carboximidamide

Structural Information

Molecular Formula
C6H13N5
SMILES
C1CCN(C1)C(=N)N=C(N)N
InChI
InChI=1S/C6H13N5/c7-5(8)10-6(9)11-3-1-2-4-11/h1-4H2,(H5,7,8,9,10)
InChIKey
TUOOWPGKBKCOHX-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)pyrrolidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

155.1171 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.124376 133.5
[M+Na]+ 178.106318 137.2
[M-H]- 154.109824 135.8
[M+NH4]+ 173.150923 153.4
[M+K]+ 194.080258 136.8
[M+H-H2O]+ 138.114360 125.6
[M+HCOO]- 200.115301 158.3
[M+CH3COO]- 214.130951 184.9
[M+Na-2H]- 176.091766 136.5
[M]+ 155.11655142 124.6
[M]- 155.11764858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe