CID 92932

Arginine methyl ester

Structural Information

Molecular Formula
C7H16N4O2
SMILES
COC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C7H16N4O2/c1-13-6(12)5(8)3-2-4-11-7(9)10/h5H,2-4,8H2,1H3,(H4,9,10,11)/t5-/m0/s1
InChIKey
ZDLDXNCMJBOYJV-YFKPBYRVSA-N
Compound name
methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

271
References

4171
Patents

188.12732 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.134596 143.7
[M+Na]+ 211.116538 147.3
[M-H]- 187.120044 143.6
[M+NH4]+ 206.161143 161.6
[M+K]+ 227.090478 148.0
[M+H-H2O]+ 171.124580 136.6
[M+HCOO]- 233.125521 168.6
[M+CH3COO]- 247.141171 194.6
[M+Na-2H]- 209.101986 144.4
[M]+ 188.12677142 140.1
[M]- 188.12786858 140.1
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