CID 81251442

1-[(ethylamino)methyl]cyclobutan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CCNCC1(CCC1)O
InChI
InChI=1S/C7H15NO/c1-2-8-6-7(9)4-3-5-7/h8-9H,2-6H2,1H3
InChIKey
GIRVJYDMKJVHSX-UHFFFAOYSA-N
Compound name
1-(ethylaminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.1
[M+Na]+ 152.104588 133.7
[M-H]- 128.108094 131.3
[M+NH4]+ 147.149193 145.6
[M+K]+ 168.078528 135.8
[M+H-H2O]+ 112.112630 120.0
[M+HCOO]- 174.113571 150.5
[M+CH3COO]- 188.129221 175.5
[M+Na-2H]- 150.090036 136.0
[M]+ 129.11482142 135.6
[M]- 129.11591858 135.6
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