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]+ 156.138286 144.1
[M+Na]+ 178.120228 149.5
[M-H]- 154.123734 145.5
[M+NH4]+ 173.164833 167.5
[M+K]+ 194.094168 151.4
[M+H-H2O]+ 138.128270 138.0
[M+HCOO]- 200.129211 160.7
[M+CH3COO]- 214.144861 184.5
[M+Na-2H]- 176.105676 151.5
[M]+ 155.13046142 155.9
[M]- 155.13155858 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.