CID 369742

Nsc641835

Structural Information

Molecular Formula
C12H20N4O4
SMILES
CC1(C(=NNC(=O)OC)C(C1=NNC(=O)OC)(C)C)C
InChI
InChI=1S/C12H20N4O4/c1-11(2)7(13-15-9(17)19-5)12(3,4)8(11)14-16-10(18)20-6/h1-6H3,(H,15,17)(H,16,18)
InChIKey
NOJBAENFVGZKHO-UHFFFAOYSA-N
Compound name
methyl N-[[3-(methoxycarbonylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14847 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15575 168.5
[M+Na]+ 307.13769 172.6
[M-H]- 283.14119 174.7
[M+NH4]+ 302.18229 181.8
[M+K]+ 323.11163 177.4
[M+H-H2O]+ 267.14573 157.7
[M+HCOO]- 329.14667 194.0
[M+CH3COO]- 343.16232 216.2
[M+Na-2H]- 305.12314 171.6
[M]+ 284.14792 180.5
[M]- 284.14902 180.5
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.