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]+ 174.12370 140.4
[M+Na]+ 196.10564 144.9
[M-H]- 172.10914 141.5
[M+NH4]+ 191.15024 160.0
[M+K]+ 212.07958 146.1
[M+H-H2O]+ 156.11368 134.0
[M+HCOO]- 218.11462 165.6
[M+CH3COO]- 232.13027 190.4
[M+Na-2H]- 194.09109 143.0
[M]+ 173.11587 139.7
[M]- 173.11697 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.