CID 15495974

326487-82-5

Structural Information

Molecular Formula
C9H19NO
SMILES
COC1(CCCCCC1)CN
InChI
InChI=1S/C9H19NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3
InChIKey
NCHRTQDYCCCDDN-UHFFFAOYSA-N
Compound name
(1-methoxycycloheptyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 131.6
[M+Na]+ 180.13589 139.0
[M+NH4]+ 175.18049 140.8
[M+K]+ 196.10983 133.4
[M-H]- 156.13939 133.6
[M+Na-2H]- 178.12134 138.0
[M]+ 157.14612 133.1
[M]- 157.14722 133.1
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.