CID 65076892

Oxepan-4-ylmethanamine

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC(CCOC1)CN
InChI
InChI=1S/C7H15NO/c8-6-7-2-1-4-9-5-3-7/h7H,1-6,8H2
InChIKey
RCQSKZVJELDYPC-UHFFFAOYSA-N
Compound name
oxepan-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 127.2
[M+Na]+ 152.10459 135.2
[M+NH4]+ 147.14919 135.3
[M+K]+ 168.07853 131.6
[M-H]- 128.10809 130.5
[M+Na-2H]- 150.09004 132.0
[M]+ 129.11482 129.1
[M]- 129.11592 129.1
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