CID 60903666

1-[(methylamino)methyl]cycloheptan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CNCC1(CCCCCC1)O
InChI
InChI=1S/C9H19NO/c1-10-8-9(11)6-4-2-3-5-7-9/h10-11H,2-8H2,1H3
InChIKey
MOOLCUJJTYOPDX-UHFFFAOYSA-N
Compound name
1-(methylaminomethyl)cycloheptan-1-ol
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]+ 158.153946 133.0
[M+Na]+ 180.135888 134.9
[M-H]- 156.139394 135.4
[M+NH4]+ 175.180493 153.0
[M+K]+ 196.109828 137.5
[M+H-H2O]+ 140.143930 128.2
[M+HCOO]- 202.144871 152.0
[M+CH3COO]- 216.160521 178.3
[M+Na-2H]- 178.121336 138.6
[M]+ 157.14612142 124.6
[M]- 157.14721858 124.6
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

No patent data available for this compound.