CID 82594308

2-cyclopropyl-1,4-oxazepane

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CNCC(OC1)C2CC2
InChI
InChI=1S/C8H15NO/c1-4-9-6-8(10-5-1)7-2-3-7/h7-9H,1-6H2
InChIKey
AGABTWZOSPSROA-UHFFFAOYSA-N
Compound name
2-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]+ 142.122646 123.8
[M+Na]+ 164.104588 128.0
[M-H]- 140.108094 129.2
[M+NH4]+ 159.149193 135.8
[M+K]+ 180.078528 131.1
[M+H-H2O]+ 124.112630 116.8
[M+HCOO]- 186.113571 140.7
[M+CH3COO]- 200.129221 135.2
[M+Na-2H]- 162.090036 130.3
[M]+ 141.11482142 118.1
[M]- 141.11591858 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.