CID 55300277

917827-86-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CNCC1CC(C1)O
InChI
InChI=1S/C6H13NO/c1-7-4-5-2-6(8)3-5/h5-8H,2-4H2,1H3
InChIKey
MCZGKHDYQOQIQW-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 123.3
[M+Na]+ 138.08894 128.3
[M-H]- 114.09244 125.6
[M+NH4]+ 133.13354 138.6
[M+K]+ 154.06288 130.6
[M+H-H2O]+ 98.096980 113.3
[M+HCOO]- 160.09792 145.0
[M+CH3COO]- 174.11357 174.0
[M+Na-2H]- 136.07439 129.0
[M]+ 115.09917 129.4
[M]- 115.10027 129.4
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