CID 129983723

Methyl 4-carbamimidoylbutanoate hydrochloride

Structural Information

Molecular Formula
C6H12N2O2
SMILES
COC(=O)CCCC(=N)N
InChI
InChI=1S/C6H12N2O2/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H3,7,8)
InChIKey
ZZFCXEZPRQXOHR-UHFFFAOYSA-N
Compound name
methyl 5-amino-5-iminopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.7
[M+Na]+ 167.07909 137.3
[M-H]- 143.08259 131.5
[M+NH4]+ 162.12369 152.1
[M+K]+ 183.05303 137.2
[M+H-H2O]+ 127.08713 126.2
[M+HCOO]- 189.08807 155.7
[M+CH3COO]- 203.10372 179.4
[M+Na-2H]- 165.06454 135.4
[M]+ 144.08932 130.3
[M]- 144.09042 130.3
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.