CID 97184649

2219370-84-8

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1O
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-9-7-5-4-6-8-10(9)14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChIKey
FXVLUNMZSAJYNE-NXEZZACHSA-N
Compound name
tert-butyl N-[(1R,2R)-2-hydroxycycloheptyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 149.4
[M+Na]+ 252.15702 150.8
[M-H]- 228.16052 151.9
[M+NH4]+ 247.20162 165.3
[M+K]+ 268.13096 155.0
[M+H-H2O]+ 212.16506 144.4
[M+HCOO]- 274.16600 165.9
[M+CH3COO]- 288.18165 190.7
[M+Na-2H]- 250.14247 151.8
[M]+ 229.16725 143.2
[M]- 229.16835 143.2
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.