CID 54324201

1378768-08-1

Structural Information

Molecular Formula
C7H13NO
SMILES
CNC1CC2CCC1O2
InChI
InChI=1S/C7H13NO/c1-8-6-4-5-2-3-7(6)9-5/h5-8H,2-4H2,1H3
InChIKey
STTPHAACIWJLDK-UHFFFAOYSA-N
Compound name
N-methyl-7-oxabicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

127.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.5
[M+Na]+ 150.08894 132.4
[M-H]- 126.09244 128.9
[M+NH4]+ 145.13354 151.3
[M+K]+ 166.06288 132.4
[M+H-H2O]+ 110.09698 121.6
[M+HCOO]- 172.09792 147.8
[M+CH3COO]- 186.11357 173.4
[M+Na-2H]- 148.07439 131.7
[M]+ 127.09917 124.3
[M]- 127.10027 124.3
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