CID 137935354

2248268-09-7

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1C2(CC(C2)(O1)C)N
InChI
InChI=1S/C7H13NO/c1-5-7(8)3-6(2,4-7)9-5/h5H,3-4,8H2,1-2H3
InChIKey
ATQFELFVSNXIFD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 131.4
[M+Na]+ 150.08894 139.0
[M-H]- 126.09244 133.6
[M+NH4]+ 145.13354 156.5
[M+K]+ 166.06288 140.8
[M+H-H2O]+ 110.09698 126.1
[M+HCOO]- 172.09792 149.8
[M+CH3COO]- 186.11357 179.0
[M+Na-2H]- 148.07439 140.9
[M]+ 127.09917 143.7
[M]- 127.10027 143.7
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.