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

6
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 133.2
[M+Na]+ 180.135888 135.1
[M-H]- 156.139394 135.1
[M+NH4]+ 175.180493 152.9
[M+K]+ 196.109828 137.5
[M+H-H2O]+ 140.143930 128.4
[M+HCOO]- 202.144871 151.6
[M+CH3COO]- 216.160521 177.7
[M+Na-2H]- 178.121336 137.9
[M]+ 157.14612142 123.9
[M]- 157.14721858 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