CID 137915953

4-[(e)-[amino(dimethylamino)methylidene]amino]butanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CN(C)C(=NCCCC(=O)O)N
InChI
InChI=1S/C7H15N3O2/c1-10(2)7(8)9-5-3-4-6(11)12/h3-5H2,1-2H3,(H2,8,9)(H,11,12)
InChIKey
WJRXWAFPUGFFOV-UHFFFAOYSA-N
Compound name
4-[[amino(dimethylamino)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.11642 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.123696 140.4
[M+Na]+ 196.105638 144.9
[M-H]- 172.109144 141.5
[M+NH4]+ 191.150243 160.0
[M+K]+ 212.079578 146.1
[M+H-H2O]+ 156.113680 134.0
[M+HCOO]- 218.114621 165.6
[M+CH3COO]- 232.130271 190.4
[M+Na-2H]- 194.091086 143.0
[M]+ 173.11587142 139.7
[M]- 173.11696858 139.7
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

No patent data available for this compound.