CID 60209682

(2s)-2-nitrosobutanedioate

Structural Information

Molecular Formula
C4H5NO5
SMILES
C([C@@H](C(=O)O)N=O)C(=O)O
InChI
InChI=1S/C4H5NO5/c6-3(7)1-2(5-10)4(8)9/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
UPITYFJYCRTREW-REOHCLBHSA-N
Compound name
(2S)-2-nitrosobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

147.01677 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02405 124.4
[M+Na]+ 170.00599 131.1
[M-H]- 146.00949 123.7
[M+NH4]+ 165.05059 144.2
[M+K]+ 185.97993 132.4
[M+H-H2O]+ 130.01403 119.5
[M+HCOO]- 192.01497 147.1
[M+CH3COO]- 206.03062 173.5
[M+Na-2H]- 167.99144 128.6
[M]+ 147.01622 125.4
[M]- 147.01732 125.4
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

patents stripe