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]+ 158.15395 133.0
[M+Na]+ 180.13589 134.9
[M-H]- 156.13939 135.4
[M+NH4]+ 175.18049 153.0
[M+K]+ 196.10983 137.5
[M+H-H2O]+ 140.14393 128.2
[M+HCOO]- 202.14487 152.0
[M+CH3COO]- 216.16052 178.3
[M+Na-2H]- 178.12134 138.6
[M]+ 157.14612 124.6
[M]- 157.14722 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.