CID 19964977

4-(propan-2-yl)azepane

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)C1CCCNCC1
InChI
InChI=1S/C9H19N/c1-8(2)9-4-3-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKey
PERQRFSWSFUTEO-UHFFFAOYSA-N
Compound name
4-propan-2-ylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

141.15175 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 130.4
[M+Na]+ 164.14097 138.5
[M+NH4]+ 159.18557 138.2
[M+K]+ 180.11491 134.5
[M-H]- 140.14447 131.4
[M+Na-2H]- 162.12642 135.1
[M]+ 141.15120 131.6
[M]- 141.15230 131.6
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