CID 124707334

1638769-06-8

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(CC1(C2)CO)N
InChI
InChI=1S/C7H13NO/c8-7-2-1-6(3-7,4-7)5-9/h9H,1-5,8H2
InChIKey
PLIMLQDDYGGJIR-UHFFFAOYSA-N
Compound name
(4-amino-1-bicyclo[2.1.1]hexanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 135.9
[M+Na]+ 150.088938 142.3
[M-H]- 126.092444 135.9
[M+NH4]+ 145.133543 161.1
[M+K]+ 166.062878 142.3
[M+H-H2O]+ 110.096980 130.1
[M+HCOO]- 172.097921 153.8
[M+CH3COO]- 186.113571 175.6
[M+Na-2H]- 148.074386 144.5
[M]+ 127.09917142 145.6
[M]- 127.10026858 145.6
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

patents stripe