CID 23120751

(1-(aminomethyl)cycloheptyl)methanol

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCCC(CC1)(CN)CO
InChI
InChI=1S/C9H19NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8,10H2
InChIKey
CUSMDAXJTOHSIX-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)cycloheptyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 133.2
[M+Na]+ 180.13589 135.1
[M-H]- 156.13939 135.1
[M+NH4]+ 175.18049 152.9
[M+K]+ 196.10983 137.5
[M+H-H2O]+ 140.14393 128.4
[M+HCOO]- 202.14487 151.6
[M+CH3COO]- 216.16052 177.7
[M+Na-2H]- 178.12134 137.9
[M]+ 157.14612 123.9
[M]- 157.14722 123.9
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