CID 11240460

199274-35-6

Structural Information

Molecular Formula
C4H12N4
SMILES
C(CN)CN=C(N)N
InChI
InChI=1S/C4H12N4/c5-2-1-3-8-4(6)7/h1-3,5H2,(H4,6,7,8)
InChIKey
WRGLZNWEJGKYHH-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

116.10619 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.11347 123.7
[M+Na]+ 139.09541 128.9
[M-H]- 115.09891 124.1
[M+NH4]+ 134.14001 144.8
[M+K]+ 155.06935 128.9
[M+H-H2O]+ 99.103450 117.6
[M+HCOO]- 161.10439 150.9
[M+CH3COO]- 175.12004 180.9
[M+Na-2H]- 137.08086 128.7
[M]+ 116.10564 118.4
[M]- 116.10674 118.4
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