CID 65076892

1367992-64-0

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

33
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 123.2
[M+Na]+ 152.10459 125.4
[M-H]- 128.10809 127.0
[M+NH4]+ 147.14919 141.6
[M+K]+ 168.07853 130.0
[M+H-H2O]+ 112.11263 117.9
[M+HCOO]- 174.11357 142.8
[M+CH3COO]- 188.12922 174.8
[M+Na-2H]- 150.09004 129.4
[M]+ 129.11482 115.3
[M]- 129.11592 115.3
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