CID 369749

Nsc641840

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC1(C(=NNC(=O)OC)C(C1=O)(C)C)C
InChI
InChI=1S/C10H16N2O3/c1-9(2)6(10(3,4)7(9)13)11-12-8(14)15-5/h1-5H3,(H,12,14)
InChIKey
QZSZSDOXROKPFH-UHFFFAOYSA-N
Compound name
methyl N-[(2,2,4,4-tetramethyl-3-oxocyclobutylidene)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 146.8
[M+Na]+ 235.10531 153.7
[M-H]- 211.10881 152.5
[M+NH4]+ 230.14991 163.5
[M+K]+ 251.07925 157.0
[M+H-H2O]+ 195.11335 138.4
[M+HCOO]- 257.11429 170.7
[M+CH3COO]- 271.12994 197.6
[M+Na-2H]- 233.09076 151.4
[M]+ 212.11554 158.4
[M]- 212.11664 158.4
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

No patent data available for this compound.