CID 82594306

7-cyclopropyl-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC1C2CCNCCO2
InChI
InChI=1S/C8H15NO/c1-2-7(1)8-3-4-9-5-6-10-8/h7-9H,1-6H2
InChIKey
YQLRVXBRPPONIT-UHFFFAOYSA-N
Compound name
7-cyclopropyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 123.8
[M+Na]+ 164.10459 128.0
[M-H]- 140.10809 129.2
[M+NH4]+ 159.14919 135.8
[M+K]+ 180.07853 131.1
[M+H-H2O]+ 124.11263 116.8
[M+HCOO]- 186.11357 140.7
[M+CH3COO]- 200.12922 135.2
[M+Na-2H]- 162.09004 130.3
[M]+ 141.11482 118.1
[M]- 141.11592 118.1
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

No patent data available for this compound.