CID 53621897

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1(C(C2C1OCC2)NC)C
InChI
InChI=1S/C9H17NO/c1-9(2)7(10-3)6-4-5-11-8(6)9/h6-8,10H,4-5H2,1-3H3
InChIKey
XUMSRIRVMBFJAI-UHFFFAOYSA-N
Compound name
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 130.7
[M+Na]+ 178.120228 137.0
[M-H]- 154.123734 136.1
[M+NH4]+ 173.164833 148.9
[M+K]+ 194.094168 139.6
[M+H-H2O]+ 138.128270 122.5
[M+HCOO]- 200.129211 151.3
[M+CH3COO]- 214.144861 183.8
[M+Na-2H]- 176.105676 137.0
[M]+ 155.13046142 139.2
[M]- 155.13155858 139.2
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

patents stripe