CID 832265

(2s)-2-(carbamoylamino)-4-methylpentanoic acid

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)N
InChI
InChI=1S/C7H14N2O3/c1-4(2)3-5(6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)/t5-/m0/s1
InChIKey
JUIBQJHHPDRAGP-YFKPBYRVSA-N
Compound name
(2S)-2-(carbamoylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

78
Patents

174.10045 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 140.4
[M+Na]+ 197.089668 144.6
[M-H]- 173.093174 138.7
[M+NH4]+ 192.134273 158.6
[M+K]+ 213.063608 145.0
[M+H-H2O]+ 157.097710 134.8
[M+HCOO]- 219.098651 160.8
[M+CH3COO]- 233.114301 184.1
[M+Na-2H]- 195.075116 140.5
[M]+ 174.09990142 137.6
[M]- 174.10099858 137.6
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