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]+ 156.13829 130.7
[M+Na]+ 178.12023 137.0
[M-H]- 154.12373 136.1
[M+NH4]+ 173.16483 148.9
[M+K]+ 194.09417 139.6
[M+H-H2O]+ 138.12827 122.5
[M+HCOO]- 200.12921 151.3
[M+CH3COO]- 214.14486 183.8
[M+Na-2H]- 176.10568 137.0
[M]+ 155.13046 139.2
[M]- 155.13156 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