CID 25220857

{1-[(methylamino)methyl]cyclopropyl}methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CNCC1(CC1)CO
InChI
InChI=1S/C6H13NO/c1-7-4-6(5-8)2-3-6/h7-8H,2-5H2,1H3
InChIKey
JDQZUWZHXPZFNU-UHFFFAOYSA-N
Compound name
[1-(methylaminomethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

115.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.0
[M+Na]+ 138.088938 131.7
[M-H]- 114.092444 126.8
[M+NH4]+ 133.133543 141.9
[M+K]+ 154.062878 130.4
[M+H-H2O]+ 98.096980 118.8
[M+HCOO]- 160.097921 146.7
[M+CH3COO]- 174.113571 173.0
[M+Na-2H]- 136.074386 131.7
[M]+ 115.09917142 124.8
[M]- 115.10026858 124.8
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