CID 318246

Nsc254103

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC12CCC(N1CCNC(=O)C2)C(C)(C)O
InChI
InChI=1S/C12H22N2O2/c1-11(2,16)9-4-5-12(3)8-10(15)13-6-7-14(9)12/h9,16H,4-8H2,1-3H3,(H,13,15)
InChIKey
NHEQEFVPBXCZQU-UHFFFAOYSA-N
Compound name
7-(2-hydroxypropan-2-yl)-9a-methyl-3,4,5,7,8,9-hexahydro-1H-pyrrolo[1,2-d][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 152.4
[M+Na]+ 249.15734 156.8
[M-H]- 225.16084 152.2
[M+NH4]+ 244.20194 170.1
[M+K]+ 265.13128 156.8
[M+H-H2O]+ 209.16538 146.2
[M+HCOO]- 271.16632 163.8
[M+CH3COO]- 285.18197 186.5
[M+Na-2H]- 247.14279 155.1
[M]+ 226.16757 144.3
[M]- 226.16867 144.3
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.