CID 146544

Sarcosine, n-nitro-

Structural Information

Molecular Formula
C3H6N2O4
SMILES
CN(CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C3H6N2O4/c1-4(5(8)9)2-3(6)7/h2H2,1H3,(H,6,7)
InChIKey
JMYXZXXYZJUMQZ-UHFFFAOYSA-N
Compound name
2-[methyl(nitro)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

134.03276 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04004 121.3
[M+Na]+ 157.02198 127.8
[M-H]- 133.02548 122.1
[M+NH4]+ 152.06658 141.8
[M+K]+ 172.99592 125.6
[M+H-H2O]+ 117.03002 121.1
[M+HCOO]- 179.03096 147.1
[M+CH3COO]- 193.04661 168.3
[M+Na-2H]- 155.00743 128.7
[M]+ 134.03221 120.3
[M]- 134.03331 120.3
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.