CID 138039884

2241130-62-9

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)C12CC(C1)(OC2)CN
InChI
InChI=1S/C9H17NO/c1-7(2)8-3-9(4-8,5-10)11-6-8/h7H,3-6,10H2,1-2H3
InChIKey
NAXVQNOZZJQEAR-UHFFFAOYSA-N
Compound name
(4-propan-2-yl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 144.1
[M+Na]+ 178.12023 149.5
[M-H]- 154.12373 145.5
[M+NH4]+ 173.16483 167.5
[M+K]+ 194.09417 151.4
[M+H-H2O]+ 138.12827 138.0
[M+HCOO]- 200.12921 160.7
[M+CH3COO]- 214.14486 184.5
[M+Na-2H]- 176.10568 151.5
[M]+ 155.13046 155.9
[M]- 155.13156 155.9
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.