CID 114735

N-(2-hydroxypropyl)-n-nitrosourea

Structural Information

Molecular Formula
C4H9N3O3
SMILES
CC(CN(C(=O)N)N=O)O
InChI
InChI=1S/C4H9N3O3/c1-3(8)2-7(6-10)4(5)9/h3,8H,2H2,1H3,(H2,5,9)
InChIKey
GOFRPYBDTSWZBB-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

147.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07167 128.6
[M+Na]+ 170.05361 134.2
[M-H]- 146.05711 130.1
[M+NH4]+ 165.09821 149.0
[M+K]+ 186.02755 136.6
[M+H-H2O]+ 130.06165 122.4
[M+HCOO]- 192.06259 155.0
[M+CH3COO]- 206.07824 184.1
[M+Na-2H]- 168.03906 132.9
[M]+ 147.06384 128.3
[M]- 147.06494 128.3
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