CID 67269927

1508175-90-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CN1CC2C(C1)C2CO
InChI
InChI=1S/C7H13NO/c1-8-2-5-6(3-8)7(5)4-9/h5-7,9H,2-4H2,1H3
InChIKey
NBDARIFQUROSPQ-UHFFFAOYSA-N
Compound name
(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 129.0
[M+Na]+ 150.088938 139.7
[M-H]- 126.092444 132.0
[M+NH4]+ 145.133543 147.6
[M+K]+ 166.062878 136.3
[M+H-H2O]+ 110.096980 123.7
[M+HCOO]- 172.097921 149.2
[M+CH3COO]- 186.113571 174.2
[M+Na-2H]- 148.074386 133.9
[M]+ 127.09917142 130.7
[M]- 127.10026858 130.7
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