CID 18988

Trimethylnitrosourea

Structural Information

Molecular Formula
C4H9N3O2
SMILES
CN(C)C(=O)N(C)N=O
InChI
InChI=1S/C4H9N3O2/c1-6(2)4(8)7(3)5-9/h1-3H3
InChIKey
LOEHVDVYTQIWEV-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-3-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

131.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.07675 124.9
[M+Na]+ 154.05869 131.6
[M-H]- 130.06219 130.0
[M+NH4]+ 149.10329 147.9
[M+K]+ 170.03263 135.7
[M+H-H2O]+ 114.06673 118.7
[M+HCOO]- 176.06767 154.7
[M+CH3COO]- 190.08332 187.2
[M+Na-2H]- 152.04414 131.4
[M]+ 131.06892 128.1
[M]- 131.07002 128.1
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